| Synonyms | |
| Molecule Category | Free-form |
| UNII | XGE9999H19 |
| Source | Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ... |
Structure
| InChI Key | NUJGJRNETVAIRJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H16O |
| Molecular Weight | 128.21 |
| AlogP | 2.77 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL18407 |
| FDA SRS | XGE9999H19 |
| PDB | OYA |
| PubChem | 454 |
| SureChEMBL | SCHEMBL15990705 |
| ZINC | ZINC01529222 |
CONTENTS
